SCHEMBL11069040

SCHEMBL11069040

O=C1CCc2cc(OCCCN3CCC(O)(c4c(Cl)cccc4Cl)CC3)ccc2N1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.61
DRD3 P35462 5/20 0.59
DRD4 P21917 4/20 0.59
HTR1A P08908 4/20 0.59
HTR2A P28223 4/20 0.59
HTR2C P28335 4/20 0.59
SLC6A4 P31645 3/20 0.59
HTR7 P34969 3/20 0.59
MAOA P21397 10/20 0.58
DRD1 P21728 2/20 0.58
DRD5 P21918 2/20 0.58
HTR2B P41595 2/20 0.58
HTR3E A5X5Y0 1/20 0.58
MEN1 O00255 1/20 0.58
MLNR O43193 1/20 0.58
HTR3B O95264 1/20 0.58
ABCB11 O95342 1/20 0.58
ESR1 P03372 1/20 0.58
PGR P06401 1/20 0.58
ADRB2 P07550 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11068613 0.92 DRD2 (0.69) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11066469 0.91 DRD2 (0.61) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11063552 0.88 DRD2 (0.62) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11064417 0.86 DRD2 (0.76) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11070211 0.86 DRD2 (0.65) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11068571 0.84 KCNH2 (0.64) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11062760 0.84 DRD2 (0.57) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11068038 0.84 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL23097785 0.83 DRD2 (0.82) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL11060146 0.83 DRD2 (0.60) DRD2DRD3DRD4HTR1AHTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed